Chlorine in PDB 1o1h: Structure of Glucose Isomerase Derivatized with Kr.

All present enzymatic activity of Structure of Glucose Isomerase Derivatized with Kr.:
5.3.1.5;

The structure of Structure of Glucose Isomerase Derivatized with Kr., PDB code: 1o1h was solved by E.Nowak, S.Panjikar, P.A.Tucker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.334, 93.070, 98.795, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 16.1

The structure of Structure of Glucose Isomerase Derivatized with Kr. also contains other interesting chemical elements:

Krypton	(Kr)	4 atoms
Magnesium	(Mg)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Structure of Glucose Isomerase Derivatized with Kr. (pdb code 1o1h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Glucose Isomerase Derivatized with Kr., PDB code: 1o1h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Glucose Isomerase Derivatized with Kr.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Glucose Isomerase Derivatized with Kr. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1010 b:21.1 occ:1.00 O A:HOH1256 2.5 27.0 1.0 O A:GLU293 3.2 8.1 1.0 O A:THR29 3.3 10.3 1.0 C A:GLU293 3.7 7.7 1.0 CA A:ASP294 3.8 8.7 1.0 O A:HOH1176 3.8 18.1 1.0 N A:ASP294 3.9 8.1 1.0 CB A:THR29 4.1 9.1 1.0 CB A:ASP294 4.2 10.5 1.0 OG1 A:THR29 4.2 8.7 1.0 O A:ARG291 4.2 7.5 1.0 O A:HOH1281 4.2 31.0 1.0 CG A:ARG30 4.2 8.5 1.0 C A:THR29 4.3 10.1 1.0 O A:THR292 4.5 7.2 1.0 O A:HOH1194 4.5 22.0 1.0 C A:THR292 4.7 7.1 1.0 CA A:GLU293 4.7 7.2 1.0 N A:GLU293 4.8 6.7 1.0 CA A:THR29 4.8 9.8 1.0

Chlorine binding site 2 out of 4 in the Structure of Glucose Isomerase Derivatized with Kr.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Glucose Isomerase Derivatized with Kr. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1012 b:23.9 occ:1.00 NH2 A:ARG265 2.7 13.2 1.0 O A:ALA378 3.1 7.8 1.0 C A:ALA378 3.3 7.2 1.0 NE A:ARG265 3.3 20.8 1.0 CZ A:ARG265 3.5 13.8 1.0 CD2 A:PHE268 3.5 6.3 1.0 CE2 A:PHE268 3.5 7.7 1.0 N A:MET379 3.6 7.0 1.0 CB A:ALA378 3.6 7.2 1.0 CD2 A:LEU382 3.7 8.7 1.0 CB A:LEU382 3.8 8.8 1.0 CA A:MET379 3.8 6.9 1.0 CA A:ALA378 4.1 7.2 1.0 CG A:PHE268 4.1 6.3 1.0 CZ A:PHE268 4.2 7.8 1.0 CZ2 A:TRP269 4.2 7.6 1.0 NE1 A:TRP269 4.3 6.9 1.0 CE2 A:TRP269 4.4 6.0 1.0 CG A:LEU382 4.4 7.8 1.0 CD A:ARG265 4.7 21.4 1.0 CD1 A:PHE268 4.7 6.5 1.0 CE1 A:PHE268 4.7 8.8 1.0 CB A:PHE268 4.8 6.1 1.0 NH1 A:ARG265 4.8 12.2 1.0 CB A:MET379 4.8 7.3 1.0 C A:MET379 4.9 7.8 1.0 CH2 A:TRP269 5.0 7.8 1.0 CG A:ARG265 5.0 19.5 1.0

Chlorine binding site 3 out of 4 in the Structure of Glucose Isomerase Derivatized with Kr.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Glucose Isomerase Derivatized with Kr. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1009 b:18.7 occ:1.00 O B:HOH1187 2.5 17.8 1.0 O B:GLU293 3.2 6.1 1.0 O B:THR29 3.3 8.7 1.0 C B:GLU293 3.7 5.8 1.0 CA B:ASP294 3.9 6.5 1.0 N B:ASP294 3.9 6.3 1.0 CB B:THR29 4.1 7.4 1.0 C B:THR29 4.2 8.0 1.0 CB B:ASP294 4.2 7.4 1.0 OG1 B:THR29 4.2 6.7 1.0 O B:ARG291 4.2 6.6 1.0 CG B:ARG30 4.2 7.1 1.0 O B:HOH1323 4.4 27.9 1.0 O B:THR292 4.5 5.8 1.0 O B:HOH1178 4.5 19.7 1.0 C B:THR292 4.7 5.6 1.0 CA B:GLU293 4.7 5.4 1.0 CA B:THR29 4.7 8.3 1.0 N B:GLU293 4.8 5.6 1.0

Chlorine binding site 4 out of 4 in the Structure of Glucose Isomerase Derivatized with Kr.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Glucose Isomerase Derivatized with Kr. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1011 b:21.6 occ:1.00 NH2 B:ARG265 2.6 12.1 1.0 NE B:ARG265 3.2 20.1 1.0 O B:ALA378 3.2 6.4 1.0 CZ B:ARG265 3.3 12.3 1.0 C B:ALA378 3.3 6.1 1.0 CD2 B:PHE268 3.5 5.0 1.0 CE2 B:PHE268 3.6 6.0 1.0 N B:MET379 3.6 5.4 1.0 CB B:ALA378 3.6 6.3 1.0 CD2 B:LEU382 3.8 8.2 1.0 CA B:MET379 3.8 6.2 1.0 CB B:LEU382 3.8 6.4 1.0 CA B:ALA378 4.1 5.8 1.0 CG B:PHE268 4.1 4.4 1.0 CZ2 B:TRP269 4.2 6.2 1.0 CZ B:PHE268 4.2 6.3 1.0 NE1 B:TRP269 4.3 6.2 1.0 CE2 B:TRP269 4.4 5.0 1.0 CG B:LEU382 4.4 5.6 1.0 CD B:ARG265 4.5 20.5 1.0 NH1 B:ARG265 4.6 10.4 1.0 CD1 B:PHE268 4.7 5.4 1.0 CB B:MET379 4.7 6.2 1.0 CE1 B:PHE268 4.8 6.5 1.0 CB B:PHE268 4.8 4.6 1.0 C B:MET379 4.9 6.7 1.0 CG B:ARG265 4.9 16.9 1.0 SD B:MET379 4.9 13.0 1.0 O B:ASP375 5.0 6.0 1.0

E.Nowak, S.Panjikar, P.A.Tucker. Structure of Glucose Isomerase Derivatized with Kr. To Be Published.